Geometry & MOs

Info

ID:	391943
PubChem CID:	135011178
Reduced:	N2O9C20H26 (1)
Stoich.:	A2B9C20D26 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-388.02
Dipole, Da:	3.3
IP(EA), eV:	-9.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[cyano-(4-nitrophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CN=C1OC)C[C@H]2C(C([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations